2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]acetamide

C23H35N3O3 — CID 78898987

IUPAC2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]acetamide
SMILESCc1ccc(CN(C(=O)CN2CCC(C(=O)N3CCCCCC3)CC2)C2CC2)o1
InChIInChI=1S/C23H35N3O3/c1-18-6-9-21(29-18)16-26(20-7-8-20)22(27)17-24-14-10-19(11-15-24)23(28)25-12-4-2-3-5-13-25/h6,9,19-20H,2-5,7-8,10-17H2,1H3
InChIKeyJPLITUNOVBJRTQ-UHFFFAOYSA-N
MW401.55 g/mol
LogP3.19
Rot. Bonds6

About 2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]acetamide

2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]acetamide (PubChem CID 78898987) has the molecular formula C23H35N3O3 and a molecular weight of 401.55 g/mol. Its IUPAC name is 2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]acetamide
PubChem CID78898987
Molecular FormulaC23H35N3O3
Molecular Weight401.55 g/mol
Exact Mass401.27
IUPAC Name2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]acetamide
SMILESCc1ccc(CN(C(=O)CN2CCC(C(=O)N3CCCCCC3)CC2)C2CC2)o1
InChIInChI=1S/C23H35N3O3/c1-18-6-9-21(29-18)16-26(20-7-8-20)22(27)17-24-14-10-19(11-15-24)23(28)25-12-4-2-3-5-13-25/h6,9,19-20H,2-5,7-8,10-17H2,1H3
InChIKeyJPLITUNOVBJRTQ-UHFFFAOYSA-N
XLogP3.19
TPSA57.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.55
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]acetamide with MolForge

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Related Compounds

N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide
CID 87015170
N-cyclopropyl-2-methoxy-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 60793853
N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]-2-(propan-2-ylamino)acetamide
CID 54872080
N-cyclopropyl-2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 78899007
N-cyclopropyl-5-hydroxy-N-[(5-methylfuran-2-yl)methyl]pentanamide
CID 79198698
N-cyclopropyl-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 60794855
2-bromo-N-cyclopropyl-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 114328211
2-(5-amino-2-pyridinyl)-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 107338030
(3S)-3-N-methyl-3-N-[(5-methylfuran-2-yl)methyl]piperidine-1,3-dicarboxamide
CID 94393772
N-cyclopropyl-3-(cyclopropylamino)-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 54871938
N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]-2-piperidin-4-ylsulfanylacetamide
CID 114627014
N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]-2-[3-[(R)-methylsulfinyl]-1,2,4-triazol-4-yl]acetamide
CID 95623191

Frequently Asked Questions

What is the IUPAC name of 2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]acetamide?
The IUPAC name of 2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]acetamide (CID 78898987) is 2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]acetamide?
The canonical SMILES for 2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]acetamide is Cc1ccc(CN(C(=O)CN2CCC(C(=O)N3CCCCCC3)CC2)C2CC2)o1.
What is the InChIKey of 2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]acetamide?
The InChIKey is JPLITUNOVBJRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O3/c1-18-6-9-21(29-18)16-26(20-7-8-20)22(27)17-24-14-10-19(11-15-24)23(28)25-12-4-2-3-5-13-25/h6,9,19-20H,2-5,7-8,10-17H2,1H3.
What are the key properties of 2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]acetamide?
2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]acetamide has a molecular weight of 401.55 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]acetamide is sourced from PubChem (CID 78898987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).