[3-[3-[[4-(furan-3-carbonyl)piperazin-1-yl]methyl]piperidin-1-yl]-3-oxopropyl]urea

C19H29N5O4 — CID 166389131

IUPAC[3-[3-[[4-(furan-3-carbonyl)piperazin-1-yl]methyl]piperidin-1-yl]-3-oxopropyl]urea
SMILESNC(=O)NCCC(=O)N1CCCC(CN2CCN(C(=O)c3ccoc3)CC2)C1
InChIInChI=1S/C19H29N5O4/c20-19(27)21-5-3-17(25)24-6-1-2-15(13-24)12-22-7-9-23(10-8-22)18(26)16-4-11-28-14-16/h4,11,14-15H,1-3,5-10,12-13H2,(H3,20,21,27)
InChIKeyXHZHZQSROMMQHM-UHFFFAOYSA-N
MW391.47 g/mol
LogP0.33
Rot. Bonds6

About [3-[3-[[4-(furan-3-carbonyl)piperazin-1-yl]methyl]piperidin-1-yl]-3-oxopropyl]urea

[3-[3-[[4-(furan-3-carbonyl)piperazin-1-yl]methyl]piperidin-1-yl]-3-oxopropyl]urea (PubChem CID 166389131) has the molecular formula C19H29N5O4 and a molecular weight of 391.47 g/mol. Its IUPAC name is [3-[3-[[4-(furan-3-carbonyl)piperazin-1-yl]methyl]piperidin-1-yl]-3-oxopropyl]urea.

Molecular Properties

Compound Name[3-[3-[[4-(furan-3-carbonyl)piperazin-1-yl]methyl]piperidin-1-yl]-3-oxopropyl]urea
PubChem CID166389131
Molecular FormulaC19H29N5O4
Molecular Weight391.47 g/mol
Exact Mass391.22
IUPAC Name[3-[3-[[4-(furan-3-carbonyl)piperazin-1-yl]methyl]piperidin-1-yl]-3-oxopropyl]urea
SMILESNC(=O)NCCC(=O)N1CCCC(CN2CCN(C(=O)c3ccoc3)CC2)C1
InChIInChI=1S/C19H29N5O4/c20-19(27)21-5-3-17(25)24-6-1-2-15(13-24)12-22-7-9-23(10-8-22)18(26)16-4-11-28-14-16/h4,11,14-15H,1-3,5-10,12-13H2,(H3,20,21,27)
InChIKeyXHZHZQSROMMQHM-UHFFFAOYSA-N
XLogP0.33
TPSA112.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

furan-3-yl-[(4S)-4-[(4-methylpiperidin-1-yl)methyl]azepan-1-yl]methanone
CID 164629238
N-[3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-3-oxopropyl]furan-3-carboxamide
CID 115775397
N-[3-(3-hydroxypyrrolidin-1-yl)-3-oxopropyl]furan-3-carboxamide
CID 62917113
[1-[3-(cyclopropylamino)propanoyl]piperidin-3-yl]methylurea
CID 54873222
(3S)-1-(furan-3-carbonyl)piperidine-3-sulfonamide
CID 129366065
(3R)-1-(furan-3-carbonyl)piperidine-3-sulfonamide
CID 129366066
methyl (3S)-1-(furan-3-carbonyl)piperidine-3-carboxylate
CID 78919632
(3S)-N-ethyl-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 30830527
N-cyclopropyl-3-[[1-(furan-3-carbonyl)piperidin-3-yl]methoxy]benzamide
CID 50846714
N-cyclopropyl-3-[[(3R)-1-(furan-3-carbonyl)piperidin-3-yl]methoxy]benzamide
CID 92900949
[1-[3-(ethylamino)propanoyl]piperidin-3-yl]methylurea
CID 62834194
(3R)-N-[[4-(carbamoylamino)phenyl]methyl]-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 51725834

Frequently Asked Questions

What is the IUPAC name of [3-[3-[[4-(furan-3-carbonyl)piperazin-1-yl]methyl]piperidin-1-yl]-3-oxopropyl]urea?
The IUPAC name of [3-[3-[[4-(furan-3-carbonyl)piperazin-1-yl]methyl]piperidin-1-yl]-3-oxopropyl]urea (CID 166389131) is [3-[3-[[4-(furan-3-carbonyl)piperazin-1-yl]methyl]piperidin-1-yl]-3-oxopropyl]urea.
What is the SMILES notation for [3-[3-[[4-(furan-3-carbonyl)piperazin-1-yl]methyl]piperidin-1-yl]-3-oxopropyl]urea?
The canonical SMILES for [3-[3-[[4-(furan-3-carbonyl)piperazin-1-yl]methyl]piperidin-1-yl]-3-oxopropyl]urea is NC(=O)NCCC(=O)N1CCCC(CN2CCN(C(=O)c3ccoc3)CC2)C1.
What is the InChIKey of [3-[3-[[4-(furan-3-carbonyl)piperazin-1-yl]methyl]piperidin-1-yl]-3-oxopropyl]urea?
The InChIKey is XHZHZQSROMMQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O4/c20-19(27)21-5-3-17(25)24-6-1-2-15(13-24)12-22-7-9-23(10-8-22)18(26)16-4-11-28-14-16/h4,11,14-15H,1-3,5-10,12-13H2,(H3,20,21,27).
What are the key properties of [3-[3-[[4-(furan-3-carbonyl)piperazin-1-yl]methyl]piperidin-1-yl]-3-oxopropyl]urea?
[3-[3-[[4-(furan-3-carbonyl)piperazin-1-yl]methyl]piperidin-1-yl]-3-oxopropyl]urea has a molecular weight of 391.47 g/mol, XLogP of 0.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-[[4-(furan-3-carbonyl)piperazin-1-yl]methyl]piperidin-1-yl]-3-oxopropyl]urea is sourced from PubChem (CID 166389131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).