(3R)-3-[(carbamoylamino)methyl]-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]piperidine-1-carboxamide

C17H24N4O3 — CID 99813027

IUPAC(3R)-3-[(carbamoylamino)methyl]-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]piperidine-1-carboxamide
SMILESNC(=O)NC[C@H]1CCCN(C(=O)NC[C@@H]2Cc3ccccc3O2)C1
InChIInChI=1S/C17H24N4O3/c18-16(22)19-9-12-4-3-7-21(11-12)17(23)20-10-14-8-13-5-1-2-6-15(13)24-14/h1-2,5-6,12,14H,3-4,7-11H2,(H,20,23)(H3,18,19,22)/t12-,14+/m1/s1
InChIKeyVIGWOBNUGGHKMH-OCCSQVGLSA-N
MW332.40 g/mol
LogP1.08
Rot. Bonds4

About (3R)-3-[(carbamoylamino)methyl]-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]piperidine-1-carboxamide

(3R)-3-[(carbamoylamino)methyl]-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]piperidine-1-carboxamide (PubChem CID 99813027) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is (3R)-3-[(carbamoylamino)methyl]-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-[(carbamoylamino)methyl]-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]piperidine-1-carboxamide
PubChem CID99813027
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name(3R)-3-[(carbamoylamino)methyl]-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]piperidine-1-carboxamide
SMILESNC(=O)NC[C@H]1CCCN(C(=O)NC[C@@H]2Cc3ccccc3O2)C1
InChIInChI=1S/C17H24N4O3/c18-16(22)19-9-12-4-3-7-21(11-12)17(23)20-10-14-8-13-5-1-2-6-15(13)24-14/h1-2,5-6,12,14H,3-4,7-11H2,(H,20,23)(H3,18,19,22)/t12-,14+/m1/s1
InChIKeyVIGWOBNUGGHKMH-OCCSQVGLSA-N
XLogP1.08
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (3R)-3-[(carbamoylamino)methyl]-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]piperidine-1-carboxamide with MolForge

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Related Compounds

N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]thiomorpholine-4-carboxamide
CID 94115982
4-benzyl-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]piperidine-1-carboxamide
CID 35673121
N-[[(3S)-1-[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]piperidin-3-yl]methyl]-2-methylpropanamide
CID 95280258
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 87007306
(3S)-1-butanoyl-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]piperidine-3-carboxamide
CID 94648221
1-butanoyl-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidine-3-carboxamide
CID 47065746
2-(cyclobutylmethyl)-1-(2,3-dihydro-1-benzofuran-2-ylmethyl)guanidine
CID 111062950
N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-[2-(ethylamino)-2-oxoethyl]piperazine-1-carboxamide
CID 35676181
1-(azepan-1-yl)-2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)ethanone
CID 60977167
(2R,6S)-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methyl-6-phenylmorpholine-4-carboxamide
CID 124866660
(2R)-1-[2-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methylamino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 124703360
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-methyl-3-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]guanidine
CID 111950001

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(carbamoylamino)methyl]-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]piperidine-1-carboxamide?
The IUPAC name of (3R)-3-[(carbamoylamino)methyl]-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]piperidine-1-carboxamide (CID 99813027) is (3R)-3-[(carbamoylamino)methyl]-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]piperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-[(carbamoylamino)methyl]-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]piperidine-1-carboxamide?
The canonical SMILES for (3R)-3-[(carbamoylamino)methyl]-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]piperidine-1-carboxamide is NC(=O)NC[C@H]1CCCN(C(=O)NC[C@@H]2Cc3ccccc3O2)C1.
What is the InChIKey of (3R)-3-[(carbamoylamino)methyl]-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]piperidine-1-carboxamide?
The InChIKey is VIGWOBNUGGHKMH-OCCSQVGLSA-N. The full InChI is InChI=1S/C17H24N4O3/c18-16(22)19-9-12-4-3-7-21(11-12)17(23)20-10-14-8-13-5-1-2-6-15(13)24-14/h1-2,5-6,12,14H,3-4,7-11H2,(H,20,23)(H3,18,19,22)/t12-,14+/m1/s1.
What are the key properties of (3R)-3-[(carbamoylamino)methyl]-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]piperidine-1-carboxamide?
(3R)-3-[(carbamoylamino)methyl]-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]piperidine-1-carboxamide has a molecular weight of 332.40 g/mol, XLogP of 1.08, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(carbamoylamino)methyl]-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 99813027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).