3-[[4-(4-pyridin-4-ylpiperazine-1-carbonyl)piperidin-1-yl]amino]propanoic acid

C18H27N5O3 — CID 21462701

IUPAC3-[[4-(4-pyridin-4-ylpiperazine-1-carbonyl)piperidin-1-yl]amino]propanoic acid
SMILESO=C(O)CCNN1CCC(C(=O)N2CCN(c3ccncc3)CC2)CC1
InChIInChI=1S/C18H27N5O3/c24-17(25)3-8-20-23-9-4-15(5-10-23)18(26)22-13-11-21(12-14-22)16-1-6-19-7-2-16/h1-2,6-7,15,20H,3-5,8-14H2,(H,24,25)
InChIKeyLSYPZIUVVXYGSV-UHFFFAOYSA-N
MW361.45 g/mol
LogP0.42
Rot. Bonds6

About 3-[[4-(4-pyridin-4-ylpiperazine-1-carbonyl)piperidin-1-yl]amino]propanoic acid

3-[[4-(4-pyridin-4-ylpiperazine-1-carbonyl)piperidin-1-yl]amino]propanoic acid (PubChem CID 21462701) has the molecular formula C18H27N5O3 and a molecular weight of 361.45 g/mol. Its IUPAC name is 3-[[4-(4-pyridin-4-ylpiperazine-1-carbonyl)piperidin-1-yl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[4-(4-pyridin-4-ylpiperazine-1-carbonyl)piperidin-1-yl]amino]propanoic acid
PubChem CID21462701
Molecular FormulaC18H27N5O3
Molecular Weight361.45 g/mol
Exact Mass361.21
IUPAC Name3-[[4-(4-pyridin-4-ylpiperazine-1-carbonyl)piperidin-1-yl]amino]propanoic acid
SMILESO=C(O)CCNN1CCC(C(=O)N2CCN(c3ccncc3)CC2)CC1
InChIInChI=1S/C18H27N5O3/c24-17(25)3-8-20-23-9-4-15(5-10-23)18(26)22-13-11-21(12-14-22)16-1-6-19-7-2-16/h1-2,6-7,15,20H,3-5,8-14H2,(H,24,25)
InChIKeyLSYPZIUVVXYGSV-UHFFFAOYSA-N
XLogP0.42
TPSA89.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[[4-(4-pyridin-4-ylpiperazine-1-carbonyl)piperidin-1-yl]amino]propanoic acid with MolForge

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Related Compounds

cyclopropyl-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 110868344
methyl 3-[methyl-[4-(4-pyridin-4-ylpiperazine-1-carbonyl)piperidin-1-yl]amino]propanoate
CID 21462707
piperazin-1-yl-(1-pyridin-4-ylpiperidin-4-yl)methanone;trihydrochloride
CID 22721820
5-oxo-5-(4-pyridin-4-ylpiperazin-1-yl)pentanoic acid
CID 134069474
methyl 3-[acetyl-[4-(4-pyridin-4-ylpiperazine-1-carbonyl)piperidin-1-yl]amino]propanoate
CID 21462674
[1-(1-benzylbenzimidazole-2-carbonyl)piperidin-4-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 44579866
N-[[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-4-pyridin-4-ylpiperazine-1-carboxamide
CID 126453634
(3-aminopyrrolidin-1-yl)-(1-pyridin-4-ylpiperidin-4-yl)methanone;hydrochloride
CID 22721764
3-[[3-(4-pyridin-4-ylpiperazin-1-yl)benzoyl]amino]propanoic acid
CID 57289759
ethane;(1-methylpiperidin-4-yl)-(4-phenylpiperazin-1-yl)methanone
CID 171069680
methyl 4-(4-phenylpiperazine-1-carbonyl)piperidine-1-carboxylate
CID 110754124
3-amino-1-(4-pyridin-4-ylpiperazin-1-yl)propan-1-one
CID 22945719

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(4-pyridin-4-ylpiperazine-1-carbonyl)piperidin-1-yl]amino]propanoic acid?
The IUPAC name of 3-[[4-(4-pyridin-4-ylpiperazine-1-carbonyl)piperidin-1-yl]amino]propanoic acid (CID 21462701) is 3-[[4-(4-pyridin-4-ylpiperazine-1-carbonyl)piperidin-1-yl]amino]propanoic acid.
What is the SMILES notation for 3-[[4-(4-pyridin-4-ylpiperazine-1-carbonyl)piperidin-1-yl]amino]propanoic acid?
The canonical SMILES for 3-[[4-(4-pyridin-4-ylpiperazine-1-carbonyl)piperidin-1-yl]amino]propanoic acid is O=C(O)CCNN1CCC(C(=O)N2CCN(c3ccncc3)CC2)CC1.
What is the InChIKey of 3-[[4-(4-pyridin-4-ylpiperazine-1-carbonyl)piperidin-1-yl]amino]propanoic acid?
The InChIKey is LSYPZIUVVXYGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O3/c24-17(25)3-8-20-23-9-4-15(5-10-23)18(26)22-13-11-21(12-14-22)16-1-6-19-7-2-16/h1-2,6-7,15,20H,3-5,8-14H2,(H,24,25).
What are the key properties of 3-[[4-(4-pyridin-4-ylpiperazine-1-carbonyl)piperidin-1-yl]amino]propanoic acid?
3-[[4-(4-pyridin-4-ylpiperazine-1-carbonyl)piperidin-1-yl]amino]propanoic acid has a molecular weight of 361.45 g/mol, XLogP of 0.42, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(4-pyridin-4-ylpiperazine-1-carbonyl)piperidin-1-yl]amino]propanoic acid is sourced from PubChem (CID 21462701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).