4-(4-cyclopropylpiperazin-1-yl)-4-[(pyridine-4-carbonylamino)methyl]piperidine-1-carboxylic acid

C20H29N5O3 — CID 69022448

IUPAC4-(4-cyclopropylpiperazin-1-yl)-4-[(pyridine-4-carbonylamino)methyl]piperidine-1-carboxylic acid
SMILESO=C(NCC1(N2CCN(C3CC3)CC2)CCN(C(=O)O)CC1)c1ccncc1
InChIInChI=1S/C20H29N5O3/c26-18(16-3-7-21-8-4-16)22-15-20(5-9-24(10-6-20)19(27)28)25-13-11-23(12-14-25)17-1-2-17/h3-4,7-8,17H,1-2,5-6,9-15H2,(H,22,26)(H,27,28)
InChIKeyLZGQKQIEOUBMSW-UHFFFAOYSA-N
MW387.48 g/mol
LogP1.10
Rot. Bonds5

About 4-(4-cyclopropylpiperazin-1-yl)-4-[(pyridine-4-carbonylamino)methyl]piperidine-1-carboxylic acid

4-(4-cyclopropylpiperazin-1-yl)-4-[(pyridine-4-carbonylamino)methyl]piperidine-1-carboxylic acid (PubChem CID 69022448) has the molecular formula C20H29N5O3 and a molecular weight of 387.48 g/mol. Its IUPAC name is 4-(4-cyclopropylpiperazin-1-yl)-4-[(pyridine-4-carbonylamino)methyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(4-cyclopropylpiperazin-1-yl)-4-[(pyridine-4-carbonylamino)methyl]piperidine-1-carboxylic acid
PubChem CID69022448
Molecular FormulaC20H29N5O3
Molecular Weight387.48 g/mol
Exact Mass387.23
IUPAC Name4-(4-cyclopropylpiperazin-1-yl)-4-[(pyridine-4-carbonylamino)methyl]piperidine-1-carboxylic acid
SMILESO=C(NCC1(N2CCN(C3CC3)CC2)CCN(C(=O)O)CC1)c1ccncc1
InChIInChI=1S/C20H29N5O3/c26-18(16-3-7-21-8-4-16)22-15-20(5-9-24(10-6-20)19(27)28)25-13-11-23(12-14-25)17-1-2-17/h3-4,7-8,17H,1-2,5-6,9-15H2,(H,22,26)(H,27,28)
InChIKeyLZGQKQIEOUBMSW-UHFFFAOYSA-N
XLogP1.10
TPSA89.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(4-cyclopropylpiperazin-1-yl)-4-[(pyridine-4-carbonylamino)methyl]piperidine-1-carboxylic acid with MolForge

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Related Compounds

tert-butyl 4-(4-methylpiperazin-1-yl)-4-[(pyridine-4-carbonylamino)methyl]piperidine-1-carboxylate
CID 70946310
N-[[4-(4-cyclopropylpiperazin-1-yl)-1-[2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2,3-dihydroindol-2-yl]methoxy]acetyl]piperidin-4-yl]methyl]pyridine-4-carboxamide
CID 68629160
N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]-3-pyridin-4-ylbenzamide
CID 118793572
N-[(1-hydroxycyclohexyl)methyl]pyridine-4-carboxamide
CID 64868056
3-(pyridine-4-carbonylamino)pyrrolidine-1-carboxylic acid
CID 69360185
N-[[1-(bromomethyl)cyclopentyl]methyl]pyridine-4-carboxamide
CID 115364322
N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-(pyridin-4-ylmethoxy)benzamide
CID 34949414
(4,4-dimethylpiperidin-1-yl)-pyridin-4-ylmethanone
CID 110738617
N-[[1-(chloromethyl)cyclohexyl]methyl]pyridine-4-carboxamide
CID 113359945
[3-ethyl-3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 91925174
N-[(1-piperidin-1-ylcyclohexyl)methyl]-4-pyrazol-1-ylbenzamide
CID 9291996
4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(pyridin-4-ylmethyl)benzamide
CID 109047737

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclopropylpiperazin-1-yl)-4-[(pyridine-4-carbonylamino)methyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-(4-cyclopropylpiperazin-1-yl)-4-[(pyridine-4-carbonylamino)methyl]piperidine-1-carboxylic acid (CID 69022448) is 4-(4-cyclopropylpiperazin-1-yl)-4-[(pyridine-4-carbonylamino)methyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(4-cyclopropylpiperazin-1-yl)-4-[(pyridine-4-carbonylamino)methyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-(4-cyclopropylpiperazin-1-yl)-4-[(pyridine-4-carbonylamino)methyl]piperidine-1-carboxylic acid is O=C(NCC1(N2CCN(C3CC3)CC2)CCN(C(=O)O)CC1)c1ccncc1.
What is the InChIKey of 4-(4-cyclopropylpiperazin-1-yl)-4-[(pyridine-4-carbonylamino)methyl]piperidine-1-carboxylic acid?
The InChIKey is LZGQKQIEOUBMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O3/c26-18(16-3-7-21-8-4-16)22-15-20(5-9-24(10-6-20)19(27)28)25-13-11-23(12-14-25)17-1-2-17/h3-4,7-8,17H,1-2,5-6,9-15H2,(H,22,26)(H,27,28).
What are the key properties of 4-(4-cyclopropylpiperazin-1-yl)-4-[(pyridine-4-carbonylamino)methyl]piperidine-1-carboxylic acid?
4-(4-cyclopropylpiperazin-1-yl)-4-[(pyridine-4-carbonylamino)methyl]piperidine-1-carboxylic acid has a molecular weight of 387.48 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopropylpiperazin-1-yl)-4-[(pyridine-4-carbonylamino)methyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 69022448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).