2-cyclohexyl-2-[4-[(pyridin-4-ylamino)methyl]piperidin-1-yl]acetic acid

C19H29N3O2 — CID 67642158

IUPAC2-cyclohexyl-2-[4-[(pyridin-4-ylamino)methyl]piperidin-1-yl]acetic acid
SMILESO=C(O)C(C1CCCCC1)N1CCC(CNc2ccncc2)CC1
InChIInChI=1S/C19H29N3O2/c23-19(24)18(16-4-2-1-3-5-16)22-12-8-15(9-13-22)14-21-17-6-10-20-11-7-17/h6-7,10-11,15-16,18H,1-5,8-9,12-14H2,(H,20,21)(H,23,24)
InChIKeyXJXRZZSQGMBQCC-UHFFFAOYSA-N
MW331.46 g/mol
LogP3.24
Rot. Bonds6

About 2-cyclohexyl-2-[4-[(pyridin-4-ylamino)methyl]piperidin-1-yl]acetic acid

2-cyclohexyl-2-[4-[(pyridin-4-ylamino)methyl]piperidin-1-yl]acetic acid (PubChem CID 67642158) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 2-cyclohexyl-2-[4-[(pyridin-4-ylamino)methyl]piperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-cyclohexyl-2-[4-[(pyridin-4-ylamino)methyl]piperidin-1-yl]acetic acid
PubChem CID67642158
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name2-cyclohexyl-2-[4-[(pyridin-4-ylamino)methyl]piperidin-1-yl]acetic acid
SMILESO=C(O)C(C1CCCCC1)N1CCC(CNc2ccncc2)CC1
InChIInChI=1S/C19H29N3O2/c23-19(24)18(16-4-2-1-3-5-16)22-12-8-15(9-13-22)14-21-17-6-10-20-11-7-17/h6-7,10-11,15-16,18H,1-5,8-9,12-14H2,(H,20,21)(H,23,24)
InChIKeyXJXRZZSQGMBQCC-UHFFFAOYSA-N
XLogP3.24
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclohexyl-2-pyrrolidin-1-ylacetic acid
CID 43803517
4-(cyclohexylmethylamino)benzoic acid
CID 13273360
4-[(pyridin-4-ylamino)methyl]cyclohexan-1-ol
CID 106130739
N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-4-amine
CID 60857116
N-[[4-(methylamino)cyclohexyl]methyl]pyridin-4-amine
CID 115213590
N'-cycloheptyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]oxamide
CID 121107666
2-cyclohexyl-2-(3-ethylazetidin-1-yl)acetic acid
CID 79694528
1-cyclohexyl-3-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]urea
CID 121108676
1,3-di(cycloheptyl)-1,3-dipyridin-4-ylpropan-2-one
CID 154169625
benzene;2-cyclohexyl-2-[3-[[4-(4-phenylbutyl)piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid
CID 142021326
2-cyclohexyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide
CID 121108728
2-cyclopentyl-2-[4-(2-phenoxyacetyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)acetamide
CID 42842421

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-[4-[(pyridin-4-ylamino)methyl]piperidin-1-yl]acetic acid?
The IUPAC name of 2-cyclohexyl-2-[4-[(pyridin-4-ylamino)methyl]piperidin-1-yl]acetic acid (CID 67642158) is 2-cyclohexyl-2-[4-[(pyridin-4-ylamino)methyl]piperidin-1-yl]acetic acid.
What is the SMILES notation for 2-cyclohexyl-2-[4-[(pyridin-4-ylamino)methyl]piperidin-1-yl]acetic acid?
The canonical SMILES for 2-cyclohexyl-2-[4-[(pyridin-4-ylamino)methyl]piperidin-1-yl]acetic acid is O=C(O)C(C1CCCCC1)N1CCC(CNc2ccncc2)CC1.
What is the InChIKey of 2-cyclohexyl-2-[4-[(pyridin-4-ylamino)methyl]piperidin-1-yl]acetic acid?
The InChIKey is XJXRZZSQGMBQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c23-19(24)18(16-4-2-1-3-5-16)22-12-8-15(9-13-22)14-21-17-6-10-20-11-7-17/h6-7,10-11,15-16,18H,1-5,8-9,12-14H2,(H,20,21)(H,23,24).
What are the key properties of 2-cyclohexyl-2-[4-[(pyridin-4-ylamino)methyl]piperidin-1-yl]acetic acid?
2-cyclohexyl-2-[4-[(pyridin-4-ylamino)methyl]piperidin-1-yl]acetic acid has a molecular weight of 331.46 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-[4-[(pyridin-4-ylamino)methyl]piperidin-1-yl]acetic acid is sourced from PubChem (CID 67642158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).