N-[4-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methylamino]cyclohexyl]acetamide

C18H29N5O — CID 99715561

IUPACN-[4-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methylamino]cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(NC[C@H]2CCCN(c3ncccn3)C2)CC1
InChIInChI=1S/C18H29N5O/c1-14(24)22-17-7-5-16(6-8-17)21-12-15-4-2-11-23(13-15)18-19-9-3-10-20-18/h3,9-10,15-17,21H,2,4-8,11-13H2,1H3,(H,22,24)/t15-,16?,17?/m1/s1
InChIKeyNUZUOSKTYAQTBE-KLAILNCOSA-N
MW331.46 g/mol
LogP1.73
Rot. Bonds5

About N-[4-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methylamino]cyclohexyl]acetamide

N-[4-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methylamino]cyclohexyl]acetamide (PubChem CID 99715561) has the molecular formula C18H29N5O and a molecular weight of 331.46 g/mol. Its IUPAC name is N-[4-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methylamino]cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methylamino]cyclohexyl]acetamide
PubChem CID99715561
Molecular FormulaC18H29N5O
Molecular Weight331.46 g/mol
Exact Mass331.24
IUPAC NameN-[4-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methylamino]cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(NC[C@H]2CCCN(c3ncccn3)C2)CC1
InChIInChI=1S/C18H29N5O/c1-14(24)22-17-7-5-16(6-8-17)21-12-15-4-2-11-23(13-15)18-19-9-3-10-20-18/h3,9-10,15-17,21H,2,4-8,11-13H2,1H3,(H,22,24)/t15-,16?,17?/m1/s1
InChIKeyNUZUOSKTYAQTBE-KLAILNCOSA-N
XLogP1.73
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-4-[4-[(1-pyrimidin-2-ylpiperidin-3-yl)methylamino]piperidin-1-yl]benzamide
CID 45177868
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CID 99853750
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]cyclohexan-1-amine
CID 119037395
morpholin-4-yl-[4-[4-[(1-pyrimidin-2-ylpiperidin-3-yl)methylamino]piperidin-1-yl]phenyl]methanone
CID 45205688
N-[[1-(3-methyl-2-pyridinyl)piperidin-3-yl]methyl]cyclopropanamine
CID 55219574
(3R)-N-cyclopropyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 6557829
2-(1-pyrimidin-2-ylpiperidin-3-yl)acetic acid
CID 62690962
1-(2,3,3a,4,5,6,7,7a-octahydro-1H-benzotriazol-5-yl)-3-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]urea
CID 134089920
N-(oxan-4-ylmethyl)-1-pyrimidin-2-ylpiperidin-3-amine
CID 62386502
N-[[1-(4-propoxypyrimidin-2-yl)piperidin-3-yl]methyl]cyclopropanamine
CID 115975651
(2S)-2-amino-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide
CID 79024327
1,2-dimethyl-3-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]guanidine
CID 97160556

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methylamino]cyclohexyl]acetamide?
The IUPAC name of N-[4-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methylamino]cyclohexyl]acetamide (CID 99715561) is N-[4-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methylamino]cyclohexyl]acetamide.
What is the SMILES notation for N-[4-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methylamino]cyclohexyl]acetamide?
The canonical SMILES for N-[4-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methylamino]cyclohexyl]acetamide is CC(=O)NC1CCC(NC[C@H]2CCCN(c3ncccn3)C2)CC1.
What is the InChIKey of N-[4-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methylamino]cyclohexyl]acetamide?
The InChIKey is NUZUOSKTYAQTBE-KLAILNCOSA-N. The full InChI is InChI=1S/C18H29N5O/c1-14(24)22-17-7-5-16(6-8-17)21-12-15-4-2-11-23(13-15)18-19-9-3-10-20-18/h3,9-10,15-17,21H,2,4-8,11-13H2,1H3,(H,22,24)/t15-,16?,17?/m1/s1.
What are the key properties of N-[4-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methylamino]cyclohexyl]acetamide?
N-[4-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methylamino]cyclohexyl]acetamide has a molecular weight of 331.46 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methylamino]cyclohexyl]acetamide is sourced from PubChem (CID 99715561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).