(2R)-N-(4-aminocyclohexyl)-4-[cyclohexylmethyl(cyclopropyl)amino]-1-(cyclopropanecarbonyl)piperidine-2-carboxamide

C26H44N4O2 — CID 23856406

IUPAC(2R)-N-(4-aminocyclohexyl)-4-[cyclohexylmethyl(cyclopropyl)amino]-1-(cyclopropanecarbonyl)piperidine-2-carboxamide
SMILESNC1CCC(NC(=O)[C@H]2CC(N(CC3CCCCC3)C3CC3)CCN2C(=O)C2CC2)CC1
InChIInChI=1S/C26H44N4O2/c27-20-8-10-21(11-9-20)28-25(31)24-16-23(14-15-29(24)26(32)19-6-7-19)30(22-12-13-22)17-18-4-2-1-3-5-18/h18-24H,1-17,27H2,(H,28,31)/t20?,21?,23?,24-/m1/s1
InChIKeyNVMIXWXHMOXRBN-NKNAICGTSA-N
MW444.66 g/mol
LogP3.19
Rot. Bonds7

About (2R)-N-(4-aminocyclohexyl)-4-[cyclohexylmethyl(cyclopropyl)amino]-1-(cyclopropanecarbonyl)piperidine-2-carboxamide

(2R)-N-(4-aminocyclohexyl)-4-[cyclohexylmethyl(cyclopropyl)amino]-1-(cyclopropanecarbonyl)piperidine-2-carboxamide (PubChem CID 23856406) has the molecular formula C26H44N4O2 and a molecular weight of 444.66 g/mol. Its IUPAC name is (2R)-N-(4-aminocyclohexyl)-4-[cyclohexylmethyl(cyclopropyl)amino]-1-(cyclopropanecarbonyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(4-aminocyclohexyl)-4-[cyclohexylmethyl(cyclopropyl)amino]-1-(cyclopropanecarbonyl)piperidine-2-carboxamide
PubChem CID23856406
Molecular FormulaC26H44N4O2
Molecular Weight444.66 g/mol
Exact Mass444.35
IUPAC Name(2R)-N-(4-aminocyclohexyl)-4-[cyclohexylmethyl(cyclopropyl)amino]-1-(cyclopropanecarbonyl)piperidine-2-carboxamide
SMILESNC1CCC(NC(=O)[C@H]2CC(N(CC3CCCCC3)C3CC3)CCN2C(=O)C2CC2)CC1
InChIInChI=1S/C26H44N4O2/c27-20-8-10-21(11-9-20)28-25(31)24-16-23(14-15-29(24)26(32)19-6-7-19)30(22-12-13-22)17-18-4-2-1-3-5-18/h18-24H,1-17,27H2,(H,28,31)/t20?,21?,23?,24-/m1/s1
InChIKeyNVMIXWXHMOXRBN-NKNAICGTSA-N
XLogP3.19
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.66
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-aminocyclohexyl)-4-[cyclohexylmethyl(cyclopropyl)amino]-1-(cyclopropanecarbonyl)piperidine-2-carboxamide?
The IUPAC name of (2R)-N-(4-aminocyclohexyl)-4-[cyclohexylmethyl(cyclopropyl)amino]-1-(cyclopropanecarbonyl)piperidine-2-carboxamide (CID 23856406) is (2R)-N-(4-aminocyclohexyl)-4-[cyclohexylmethyl(cyclopropyl)amino]-1-(cyclopropanecarbonyl)piperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(4-aminocyclohexyl)-4-[cyclohexylmethyl(cyclopropyl)amino]-1-(cyclopropanecarbonyl)piperidine-2-carboxamide?
The canonical SMILES for (2R)-N-(4-aminocyclohexyl)-4-[cyclohexylmethyl(cyclopropyl)amino]-1-(cyclopropanecarbonyl)piperidine-2-carboxamide is NC1CCC(NC(=O)[C@H]2CC(N(CC3CCCCC3)C3CC3)CCN2C(=O)C2CC2)CC1.
What is the InChIKey of (2R)-N-(4-aminocyclohexyl)-4-[cyclohexylmethyl(cyclopropyl)amino]-1-(cyclopropanecarbonyl)piperidine-2-carboxamide?
The InChIKey is NVMIXWXHMOXRBN-NKNAICGTSA-N. The full InChI is InChI=1S/C26H44N4O2/c27-20-8-10-21(11-9-20)28-25(31)24-16-23(14-15-29(24)26(32)19-6-7-19)30(22-12-13-22)17-18-4-2-1-3-5-18/h18-24H,1-17,27H2,(H,28,31)/t20?,21?,23?,24-/m1/s1.
What are the key properties of (2R)-N-(4-aminocyclohexyl)-4-[cyclohexylmethyl(cyclopropyl)amino]-1-(cyclopropanecarbonyl)piperidine-2-carboxamide?
(2R)-N-(4-aminocyclohexyl)-4-[cyclohexylmethyl(cyclopropyl)amino]-1-(cyclopropanecarbonyl)piperidine-2-carboxamide has a molecular weight of 444.66 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-aminocyclohexyl)-4-[cyclohexylmethyl(cyclopropyl)amino]-1-(cyclopropanecarbonyl)piperidine-2-carboxamide is sourced from PubChem (CID 23856406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).